Cargando…
Crystal structure of 4-methyl-7-propoxy-2H-chromen-2-one
The asymmetric unit of the title compound, C(13)H(14)O(3), contains two independent molecules, A and B, that are interconnected through an offset π–π interaction [inter-centroid separation = 3.6087 (4) Å]. The fused benzene and pyran-2-one rings in each molecule are essentially coplanar, having...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257269/ https://www.ncbi.nlm.nih.gov/pubmed/25484772 http://dx.doi.org/10.1107/S1600536814023678 |
Sumario: | The asymmetric unit of the title compound, C(13)H(14)O(3), contains two independent molecules, A and B, that are interconnected through an offset π–π interaction [inter-centroid separation = 3.6087 (4) Å]. The fused benzene and pyran-2-one rings in each molecule are essentially coplanar, having dihedral angles of 1.22 (12) and 1.57 (12)° for molecules A and B, respectively. Similarly, the coumarin ring system and the 7-propoxy substituent are close to being coplanar [C—C—O—C torsion angles = 2.9 (2) and 1.4 (2)° for molecules A and B, respectively]. In the crystal, the molecules are connected by C—H⋯O hydrogen bonds, forming supramolecular tapes along [100] that are linked into a three-dimensional network by C—H⋯π interactions, as well as by the aforementioned π–π interactions. |
---|